CID 5399093

Pyruvic acid benzoylhydrazone

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1)/C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-7(10(14)15)11-12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-7+
InChIKey
MPSXVYIPEZYZCR-YRNVUSSQSA-N
Compound name
(2E)-2-(benzoylhydrazinylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

206.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 143.7
[M+Na]+ 229.058358 149.0
[M-H]- 205.061864 147.3
[M+NH4]+ 224.102963 161.4
[M+K]+ 245.032298 148.1
[M+H-H2O]+ 189.066400 136.9
[M+HCOO]- 251.067341 168.3
[M+CH3COO]- 265.082991 189.0
[M+Na-2H]- 227.043806 148.2
[M]+ 206.06859142 142.5
[M]- 206.06968858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe